4-Hexylbenzoic acid
- Product Name4-Hexylbenzoic acid
- CAS21643-38-9
- CBNumberCB8314600
- MFC13H18O2
- MW206.28
- EINECS244-490-6
- MDL NumberMFCD00013997
- MOL File21643-38-9.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 95-97 °C |
| Boiling point | 334.43°C (estimate) |
| Density | 1.0041 (estimate) |
| refractive index | 1.5211 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | methanol: 0.1 g/mL, clear |
| form | liquid crystal |
| pka | 4.36±0.10(Predicted) |
| color | Slightly beige |
| BRN | 2046454 |
| InChI | 1S/C13H18O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3,(H,14,15) |
| InChIKey | CPEPWESLFZVUEP-UHFFFAOYSA-N |
| SMILES | CCCCCCc1ccc(cc1)C(O)=O |
| LogP | 5.010 (est) |
| CAS DataBase Reference | 21643-38-9(CAS DataBase Reference) |
| FDA UNII | VF567YY01P |
| EPA Substance Registry System | Benzoic acid, 4-hexyl- (21643-38-9) |
| UNSPSC Code | 12352103 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 36/37-22 | |||||||||
| Safety Statements | 22-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DH1485000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29163990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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